(3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide

C23H19F2N3O4S — CID 170593310

IUPAC(3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide
SMILESC[C@@H]1CN(C(=O)[C@H]2Cc3cc(-c4ccccn4)c(F)cc3O2)c2cc(S(N)(=O)=O)c(F)cc21
InChIInChI=1S/C23H19F2N3O4S/c1-12-11-28(19-10-22(33(26,30)31)17(25)8-14(12)19)23(29)21-7-13-6-15(16(24)9-20(13)32-21)18-4-2-3-5-27-18/h2-6,8-10,12,21H,7,11H2,1H3,(H2,26,30,31)/t12-,21-/m1/s1
InChIKeyVICOXGYACMVFJP-XUSGNXJCSA-N
MW471.49 g/mol
LogP3.13
Rot. Bonds3

About (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide

(3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 170593310) has the molecular formula C23H19F2N3O4S and a molecular weight of 471.49 g/mol. Its IUPAC name is (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name(3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID170593310
Molecular FormulaC23H19F2N3O4S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC Name(3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide
SMILESC[C@@H]1CN(C(=O)[C@H]2Cc3cc(-c4ccccn4)c(F)cc3O2)c2cc(S(N)(=O)=O)c(F)cc21
InChIInChI=1S/C23H19F2N3O4S/c1-12-11-28(19-10-22(33(26,30)31)17(25)8-14(12)19)23(29)21-7-13-6-15(16(24)9-20(13)32-21)18-4-2-3-5-27-18/h2-6,8-10,12,21H,7,11H2,1H3,(H2,26,30,31)/t12-,21-/m1/s1
InChIKeyVICOXGYACMVFJP-XUSGNXJCSA-N
XLogP3.13
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide (CID 170593310) is (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide is C[C@@H]1CN(C(=O)[C@H]2Cc3cc(-c4ccccn4)c(F)cc3O2)c2cc(S(N)(=O)=O)c(F)cc21.
What is the InChIKey of (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is VICOXGYACMVFJP-XUSGNXJCSA-N. The full InChI is InChI=1S/C23H19F2N3O4S/c1-12-11-28(19-10-22(33(26,30)31)17(25)8-14(12)19)23(29)21-7-13-6-15(16(24)9-20(13)32-21)18-4-2-3-5-27-18/h2-6,8-10,12,21H,7,11H2,1H3,(H2,26,30,31)/t12-,21-/m1/s1.
What are the key properties of (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide?
(3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 471.49 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-1-[(2R)-6-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-3-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170593310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).